CID 39870695

Ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate

Structural Information

Molecular Formula
C9H7F3N2O3
SMILES
CCOC(=O)C1=C(OC(=C1C#N)N)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O3/c1-2-16-8(15)5-4(3-13)7(14)17-6(5)9(10,11)12/h2,14H2,1H3
InChIKey
JVPDMOYDBMWBBX-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.048156 145.6
[M+Na]+ 271.030098 156.4
[M-H]- 247.033604 145.8
[M+NH4]+ 266.074703 161.2
[M+K]+ 287.004038 155.6
[M+H-H2O]+ 231.038140 131.4
[M+HCOO]- 293.039081 162.2
[M+CH3COO]- 307.054731 204.8
[M+Na-2H]- 269.015546 147.7
[M]+ 248.04033142 139.6
[M]- 248.04142858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.